2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide

C11H16BrN3O — CID 112581940

IUPAC2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cccc(Br)n1
InChIInChI=1S/C11H16BrN3O/c1-8(2)14-11(16)7-13-6-9-4-3-5-10(12)15-9/h3-5,8,13H,6-7H2,1-2H3,(H,14,16)
InChIKeySCXJFELXYLNCPG-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.46
Rot. Bonds5

About 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide

2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide (PubChem CID 112581940) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
PubChem CID112581940
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cccc(Br)n1
InChIInChI=1S/C11H16BrN3O/c1-8(2)14-11(16)7-13-6-9-4-3-5-10(12)15-9/h3-5,8,13H,6-7H2,1-2H3,(H,14,16)
InChIKeySCXJFELXYLNCPG-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 160912939
3-[(6-bromo-2-pyridinyl)methylamino]propanoic acid
CID 112581911
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide
CID 112582236
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
CID 112581921
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 112581880

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide (CID 112581940) is 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCc1cccc(Br)n1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is SCXJFELXYLNCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(2)14-11(16)7-13-6-9-4-3-5-10(12)15-9/h3-5,8,13H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 286.17 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 112581940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).